[2-(4-nitrophenyl)sulfanylimidazol-1-yl] 2-(2-methylpropyl)-4-nitro-2-oxidanyl-piperazine-1-carboxylate

Systemtic Name: [2-(4-nitrophenyl)sulfanylimidazol-1-yl] 2-(2-methylpropyl)-4-nitro-2-oxidanyl-piperazine-1-carboxylate Openeye Name: [2-(4-nitrophenyl)sulfanylimidazol-1-yl] 2-hydroxy-2-isobutyl-4-nitro-piperazine-1-carboxylate CAS Name: 2-hydroxy-2-(2-methylpropyl)-4-nitro-1-piperazinecarboxylic acid [2-[(4-nitrophenyl)thio]-1-imidazolyl] ester IUPAC Name: [2-(4-nitrophenyl)sulfanylimidazol-1-yl] 2-hydroxy-2-(2-methylpropyl)-4-nitropiperazine-1-carboxylate Traditional Name: 2-hydroxy-2-isobutyl-4-nitro-piperazine-1-carboxylic acid [2-[(4-nitrophenyl)thio]imidazol-1-yl] ester Formula: C18H22N6O7S MolecularWeight: 466.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(CCN1C(=O)ON2C=CN=C2SC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)ON2C=CN=C2SC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C18H22N6O7S/c1-13(2)11-18(26)12-20(24(29)30)9-10-21(18)17(25)31-22-8-7-19-16(22)32-15-5-3-14(4-6-15)23(27)28/h3-8,13,26H,9-12H2,1-2H3